N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide

C19H25N3O4S2 — CID 56504628

IUPACN-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC(C)C)sc1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O
InChIInChI=1S/C19H25N3O4S2/c1-12(2)10-17-20-13(3)18(27-17)19(24)21-15-11-14(6-7-16(15)23)28(25,26)22-8-4-5-9-22/h6-7,11-12,23H,4-5,8-10H2,1-3H3,(H,21,24)
InChIKeyGOJNWPINOKSVMG-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.39
Rot. Bonds6

About N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide

N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 56504628) has the molecular formula C19H25N3O4S2 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID56504628
Molecular FormulaC19H25N3O4S2
Molecular Weight423.56 g/mol
Exact Mass423.13
IUPAC NameN-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC(C)C)sc1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O
InChIInChI=1S/C19H25N3O4S2/c1-12(2)10-17-20-13(3)18(27-17)19(24)21-15-11-14(6-7-16(15)23)28(25,26)22-8-4-5-9-22/h6-7,11-12,23H,4-5,8-10H2,1-3H3,(H,21,24)
InChIKeyGOJNWPINOKSVMG-UHFFFAOYSA-N
XLogP3.39
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 27672714
4-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 27668000
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 51186069
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3,5-dimethoxybenzamide
CID 27672633
3-amino-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide;hydrochloride
CID 120872676
2-(4-fluorophenyl)-4-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-5-carboxamide
CID 27668010
(2S)-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 24540294
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)naphthalene-1-carboxamide
CID 46652299
N-[(2S)-1-(2-hydroxy-5-pyrrolidin-1-ylsulfonylanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 29264972
4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 4843950
2,3-dichloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 18108806
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 27672653

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide (CID 56504628) is N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide is Cc1nc(CC(C)C)sc1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O.
What is the InChIKey of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is GOJNWPINOKSVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S2/c1-12(2)10-17-20-13(3)18(27-17)19(24)21-15-11-14(6-7-16(15)23)28(25,26)22-8-4-5-9-22/h6-7,11-12,23H,4-5,8-10H2,1-3H3,(H,21,24).
What are the key properties of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56504628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).